General Information of the Compound
| Compound ID |
CP0414122
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| Compound Name |
4-ethyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)anilino]-6-oxopyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C36H37N5O5
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| Molecular Weight |
619.722
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| Canonical SMILES |
CCc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C36H37N5O5/c1-5-24-10-12-25(13-11-24)34(43)39-30-9-7-8-28(23(30)3)26-20-32(36(45)40(4)22-26)37-27-14-15-29(31(21-27)38-33(42)6-2)35(44)41-16-18-46-19-17-41/h6-15,20-22,37H,2,5,16-19H2,1,3-4H3,(H,38,42)(H,39,43)
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| InChIKey |
WOBATRJOELSRSL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound